(Q27093646)

inferred from SMILES

mass

300.209±0 dalton

1 reference

4-Oxoretinol (English)

19 October 2016

chemical formula

C₂₀H₂₈O₂

1 reference

4-Oxoretinol (English)

19 October 2016

canonical SMILES

CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CCO)C)C

1 reference

4-Oxoretinol (English)

19 October 2016

isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C

1 reference

4-Oxoretinol (English)

InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+

19 October 2016

Identifiers

InChI

1 reference

4-Oxoretinol (English)

19 October 2016

2 references

4-Oxoretinol (English)

19 October 2016

stated in

ChEBI release 2020-09-01

2 references

4-Oxoretinol (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=62702-55-0

10 April 2021

1 reference

4-Oxoretinol (English)

19 October 2016

2 references

4-Oxoretinol (English)

19 October 2016

ChEBI ID

44597

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+

SureChEMBL ID

SCHEMBL1598556

2 references

inferred from InChIKey

SCHEMBL1598559

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID60910095

0 references

DrugBank ID

DB02699

1 reference

Human Metabolome Database ID

HMDB0012329

2 references

inferred from InChIKey

UNII

6FFM6M3NPT

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

1 reference

31 December 2022

0 references

1 reference

1X8L (English)